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	hartrees
Energy at 0K	-2353.715996
Energy at 298.15K
Nuclear repulsion energy	288.008754

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.482
C2	0.000	1.709	-0.528
C3	1.480	-0.855	-0.528
C4	-1.480	-0.855	-0.528
H5	0.000	1.519	-1.618
H6	1.316	-0.760	-1.618
H7	-1.316	-0.760	-1.618
H8	-0.896	2.297	-0.260
H9	2.438	-0.372	-0.260
H10	-1.541	-1.925	-0.260
H11	0.896	2.297	-0.260
H12	1.541	-1.925	-0.260
H13	-2.438	-0.372	-0.260

	As1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12	H13
As1		1.9855	1.9855	1.9855	2.5923	2.5923	2.5923	2.5755	2.5755	2.5755	2.5755	2.5755	2.5755
C2	1.9855		2.9604	2.9604	1.1064	3.0024	3.0024	1.1050	3.2168	3.9566	1.1050	3.9566	3.2168
C3	1.9855	2.9604		2.9604	3.0024	1.1064	3.0024	3.9566	1.1050	3.2168	3.2168	1.1050	3.9566
C4	1.9855	2.9604	2.9604		3.0024	3.0024	1.1064	3.2168	3.9566	1.1050	3.9566	3.2168	1.1050
H5	2.5923	1.1064	3.0024	3.0024		2.6316	2.6316	1.8034	3.3712	4.0103	1.8034	4.0103	3.3712
H6	2.5923	3.0024	1.1064	3.0024	2.6316		2.6316	4.0103	1.8034	3.3712	3.3712	1.8034	4.0103
H7	2.5923	3.0024	3.0024	1.1064	2.6316	2.6316		3.3712	4.0103	1.8034	4.0103	3.3712	1.8034
H8	2.5755	1.1050	3.9566	3.2168	1.8034	4.0103	3.3712		4.2714	4.2714	1.7927	4.8756	3.0829
H9	2.5755	3.2168	1.1050	3.9566	3.3712	1.8034	4.0103	4.2714		4.2714	3.0829	1.7927	4.8756
H10	2.5755	3.9566	3.2168	1.1050	4.0103	3.3712	1.8034	4.2714	4.2714		4.8756	3.0829	1.7927
H11	2.5755	1.1050	3.2168	3.9566	1.8034	3.3712	4.0103	1.7927	3.0829	4.8756		4.2714	4.2714
H12	2.5755	3.9566	1.1050	3.2168	4.0103	1.8034	3.3712	4.8756	1.7927	3.0829	4.2714		4.2714
H13	2.5755	3.2168	3.9566	1.1050	3.3712	4.0103	1.8034	3.0829	4.8756	1.7927	4.2714	4.2714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
As1	C2	H5	110.708	As1	C2	H8	109.569
As1	C2	H11	109.569	As1	C3	H6	110.708
As1	C3	H9	109.569	As1	C3	H12	109.569
As1	C4	H7	110.708	As1	C4	H10	109.569
As1	C4	H13	109.569	C2	As1	C3	96.406
C2	As1	C4	96.406	C3	As1	C4	96.406
H5	C2	H8	109.271	H5	C2	H11	109.271
H6	C3	H9	109.271	H6	C3	H12	109.271
H7	C4	H10	109.271	H7	C4	H13	109.271
H8	C2	H11	108.414	H9	C3	H12	108.414
H10	C4	H13	108.414

All results from a given calculation for As(CH₃)₃ (trimethyl arsine)

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for As(CH3)3 (trimethyl arsine)

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for As(CH₃)₃ (trimethyl arsine)